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Macromolecular structure analysis

Chameleon sequences—Structural effects

Mateusz Slupina, Katarzyna Stapor, Leszek Konieczny, Krzysztof Gądek, Piotr Nowakowski, Irena Roterman

published 22 Apr 2025

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Elucidating the structural dynamics induced by active site mutations in 3C protease of foot-and-mouth disease virus

Sthitaprajna Sahoo, Hak-Kyo Lee, Donghyun Shin

published 21 Apr 2025

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A method for site-specifically tethering the enzyme urease to DNA origami with sustained activity

Ian Murphy, Keren Bobilev, Daichi Hayakawa, Eden Ikonen, Thomas E. Videbæk, Shibani Dalal, Wylie W. Ahmed, Jennifer L. Ross, W. Benjamin Rogers

published 21 Apr 2025

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Bioinformatics analysis and development of functional markers for TaMYB4-1A in wheat

Dan Zhao, Yuru Ma, Yufeng Yang, Zhaoyang Li, Chaoran Wang, Yuhan Fu, Yang Chen, Tengteng Zhang, Yi Ding, Huiqiang Wang, Xuehui Zhang, Hao Zhang

published 15 Apr 2025

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Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

published 08 Apr 2025

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Assessing interface accuracy in macromolecular complexes

Olgierd Ludwiczak, Maciej Antczak, Marta Szachniuk

published 02 Apr 2025

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PUNCH2: Explore the strategy for intrinsically disordered protein predictor

Di Meng, Gianluca Pollastri

published 26 Mar 2025

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Screening potential anti-osteoarthritis compounds using molecular docking based on MAPK and NFκB pathways and validating their anti-osteoarthritis effect

Tian-Wang Zhu, Yu Zheng, Rui-Xin Li

published 25 Mar 2025

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Navigating the unstructured by evaluating alphafold’s efficacy in predicting missing residues and structural disorder in proteins

Sen Zheng

published 25 Mar 2025

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Integrative proteomic and lipidomic analysis of GNB1 and SCARB2 knockdown in human subcutaneous adipocytes

Takuya Kitamoto, Aya Kitamoto

published 24 Mar 2025

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Exploration of small molecules as inhibitors of potential BACE1 protein to treat amyloid cerebrovascular disease by employing molecular modeling and simulation approaches

Zhizhong Wang, Zhiyong Li, Ailong Lin, Qing Zhang, Yingchun Chen, Bizhou Bie, Juanjuan Feng

published 21 Mar 2025

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In silico identification of novel ligands targeting stress-related human FKBP5 protein in mental disorders

Ovinuchi Ejiohuo, Donald Bajia, Joanna Pawlak, Aleksandra Szczepankiewicz

published 17 Mar 2025

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Deciphering the structural consequences of R83 and R152 methylation on DNA polymerase β using molecular modeling

Amit Srivastava, Haitham Idriss, Gobind Das, Sufian Abedrabbo, Mohd Sahir Shamsir, Dirar Homouz

published 12 Mar 2025

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